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SMILES: CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1

InChI Key: InChIKey=IPIPJCBHPFVOGC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 443505   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 7 (Homo sapiens (Human))	BDBM443505 (US10660877, Example 82) Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10660877 (2020) BindingDB Entry DOI: 10.7270/Q24M97K0
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM443505 (US10660877, Example 82) Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM443505 (US10660877, Example 82) Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM443505 (US10660877, Example 82) Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10660877 (2020) BindingDB Entry DOI: 10.7270/Q24M97K0
					More data for this Ligand-Target Pair